Geometry & MOs

Info

ID:	363053
PubChem CID:	127310084
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	4.87
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations